N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-2-carboxamide

C17H19NO3S — CID 2810090

IUPACN-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccs2)cc1OC1CCCC1
InChIInChI=1S/C17H19NO3S/c1-20-14-9-8-12(18-17(19)16-7-4-10-22-16)11-15(14)21-13-5-2-3-6-13/h4,7-11,13H,2-3,5-6H2,1H3,(H,18,19)
InChIKeyODDYKEAPRZEHJO-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.33
Rot. Bonds5

About N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-2-carboxamide

N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 2810090) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID2810090
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccs2)cc1OC1CCCC1
InChIInChI=1S/C17H19NO3S/c1-20-14-9-8-12(18-17(19)16-7-4-10-22-16)11-15(14)21-13-5-2-3-6-13/h4,7-11,13H,2-3,5-6H2,1H3,(H,18,19)
InChIKeyODDYKEAPRZEHJO-UHFFFAOYSA-N
XLogP4.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Methoxyphenyl)-2-thiophenecarboxamide
CID 573876
4-(Acetylamino)phenyl 2-thiophenecarboxylate
CID 128894
N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 790310
N-(3,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 670502
N-(Benzo[d][1,3]dioxol-5-yl)thiophene-2-carboxamide
CID 692194
Methyl 3-{[(3,4-dimethoxyphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 972050
N-(3,4-dimethoxyphenyl)-5-methylthiophene-3-carboxamide
CID 1247262
N-(1,3-benzodioxol-5-yl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 4879656
N-(5-methoxy-2-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 6471687
N-(4,5-dimethoxy-2-methylphenyl)-2-thiophen-3-ylacetamide
CID 7751189
N-(3-ethoxyphenyl)-2-(2-thienyl)acetamide
CID 898929
N-(1,3-benzodioxol-5-yl)-5-bromothiophene-2-carboxamide
CID 1225746

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-2-carboxamide (CID 2810090) is N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(NC(=O)c2cccs2)cc1OC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is ODDYKEAPRZEHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-20-14-9-8-12(18-17(19)16-7-4-10-22-16)11-15(14)21-13-5-2-3-6-13/h4,7-11,13H,2-3,5-6H2,1H3,(H,18,19).
What are the key properties of N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-2-carboxamide?
N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxy-4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 2810090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).